AH-487/41144109
TL;DR: AH-487/41144109 (CAS 444783-85-1) is a chemical compound with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: AH-487/41144109, methyl 2-{3-[(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate, methyl 2-[3-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate, (E)-methyl 2-(3-((1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 2-(3-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
| Molecular Formula | C26H23N3O5S |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 3.72064 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.13583 |
| Heavy Atoms | 35 |
| Complexity | 1388.4688 |
Chemical Identifiers
| CAS Number | 444783-85-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC |
Product Overview
AH-487/41144109 (CAS 444783-85-1), with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol. IUPAC: methyl 2-[3-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of AH-487/41144109
Property Insights of AH-487/41144109
The XLogP value of 3.72064 indicates that AH-487/41144109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/41144109. Following Lipinski's Rule of Five, AH-487/41144109 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AH-487/41144109?
The CAS number of AH-487/41144109 is 444783-85-1.
What is the molecular formula of AH-487/41144109?
The molecular formula of AH-487/41144109 is C26H23N3O5S.
What is the molecular weight of AH-487/41144109?
The molecular weight of AH-487/41144109 is 489.14 g/mol.
Where can I buy AH-487/41144109?
You can request a quote for AH-487/41144109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41144109?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41144109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.